[3-[[butan-2-yl-(2,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-(2,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2,4-dimethoxybenzoyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(2,4-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2,4-dimethoxybenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2,4-dimethoxybenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H27NO6S/c1-6-15(2)22(14-16-8-7-9-18(12-16)28-29(5,24)25)21(23)19-11-10-17(26-3)13-20(19)27-4/h7-13,15H,6,14H2,1-5H3